On Hydrogen Bonding in the Intramolecularly Chelated Taitomers of Enolic Malondialdehyde and its Mono- and Dithio-Analogues

Lars Carlsen, Fritz Duus

    Research output: Contribution to journalJournal articleResearch

    Abstract

    The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde, whereas dithiomalondialdehyde hardly exists as a hydrogen-chelated tautomeric form.
    Original languageEnglish
    JournalJournal of the Chemical Society
    Issue number7
    Pages (from-to)1080-1082
    DOIs
    Publication statusPublished - 1980

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